MMsINC Database Search


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MMsINC code: MMs02629569

Type: Neutral
Formula: C₂₃H₁₅NO₂

SMILES:

O1c2c(cc3c(c2)cccc3)C(=O)C(c2c3c(ccc2)cccc3)=C1N

InChI:

InChI=1/C23H15NO2/c24-23-21(18-11-5-9-14-6-3-4-10-17(14)18)22(25)19-12-15-7-1-2-8-16(15)13-20(19)26-23/h1-13H,24H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.289 kcal/mol

Physical Properties
Molecular Weight: 337.378 g/mol	logS: -8.06116	SlogP: 4.8956	Reactive groups: 1

Topological Properties
Globularity: 0.11028	Sterimol/B1: 2.21567	Sterimol/B2: 2.59838	Sterimol/B3: 5.2459
Sterimol/B4: 6.36309	Sterimol/L: 16.8481

Surface and Volume Properties
Accessible surface: 577.499	Positive charged surface: 301.547	Negative charged surface: 256.955	Volume: 321.125
Hydrophobic surface: 498.873	Hydrophilic surface: 78.626

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.